24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

C55H32N4OS — CID 122548777

IUPAC24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7c7oc8ccccc8c7c65)cc4)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C55H32N4OS/c1-2-12-35(13-3-1)53-56-54(58-55(57-53)37-28-31-48-44(32-37)39-14-8-11-21-47(39)61-48)36-24-22-33(23-25-36)34-26-29-38(30-27-34)59-45-19-9-6-17-42(45)49-40-15-4-5-16-41(40)52-50(51(49)59)43-18-7-10-20-46(43)60-52/h1-32H
InChIKeyMPAPQTGEOARECG-UHFFFAOYSA-N
MW796.95 g/mol
LogP15.06
Rot. Bonds5

About 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene

24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (PubChem CID 122548777) has the molecular formula C55H32N4OS and a molecular weight of 796.95 g/mol. Its IUPAC name is 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
PubChem CID122548777
Molecular FormulaC55H32N4OS
Molecular Weight796.95 g/mol
Exact Mass796.23
IUPAC Name24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7c7oc8ccccc8c7c65)cc4)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C55H32N4OS/c1-2-12-35(13-3-1)53-56-54(58-55(57-53)37-28-31-48-44(32-37)39-14-8-11-21-47(39)61-48)36-24-22-33(23-25-36)34-26-29-38(30-27-34)59-45-19-9-6-17-42(45)49-40-15-4-5-16-41(40)52-50(51(49)59)43-18-7-10-20-46(43)60-52/h1-32H
InChIKeyMPAPQTGEOARECG-UHFFFAOYSA-N
XLogP15.06
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.95
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene (CID 122548777) is 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7ccccc7c7oc8ccccc8c7c65)cc4)cc3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
The InChIKey is MPAPQTGEOARECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4OS/c1-2-12-35(13-3-1)53-56-54(58-55(57-53)37-28-31-48-44(32-37)39-14-8-11-21-47(39)61-48)36-24-22-33(23-25-36)34-26-29-38(30-27-34)59-45-19-9-6-17-42(45)49-40-15-4-5-16-41(40)52-50(51(49)59)43-18-7-10-20-46(43)60-52/h1-32H.
What are the key properties of 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene?
24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene has a molecular weight of 796.95 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-oxa-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 122548777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).